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Also known as: 1431697-94-7, 7-chloro-5-methyl-2,3,4,5-tetrahydro-1h-3-benzazepine;hydrochloride, 8-chloro-2,3,4,5-tetrahydro-1-methyl-1h-3-benzazepine hydrochloride, 8-chloro-1-methyl-2,3,4,5-tetrahydro-1h-benzo[d]azepine (hydrochloride), Schembl1954700, Bcp34511
Molecular Formula
C11H15Cl2N
Molecular Weight
232.15  g/mol
InChI Key
ITIHHRMYZPNGRC-UHFFFAOYSA-N

CAS 1431697-94-7
1 2D Structure

CAS 1431697-94-7

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride
2.1.2 InChI
InChI=1S/C11H14ClN.ClH/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9;/h2-3,6,8,13H,4-5,7H2,1H3;1H
2.1.3 InChI Key
ITIHHRMYZPNGRC-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1CNCCC2=C1C=C(C=C2)Cl.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1431697-94-7

2. 7-chloro-5-methyl-2,3,4,5-tetrahydro-1h-3-benzazepine;hydrochloride

3. 8-chloro-2,3,4,5-tetrahydro-1-methyl-1h-3-benzazepine Hydrochloride

4. 8-chloro-1-methyl-2,3,4,5-tetrahydro-1h-benzo[d]azepine (hydrochloride)

5. Schembl1954700

6. Bcp34511

7. Cs-m1649

8. Cs-m3407

9. Akos022186457

10. Ac-28979

11. Da-33432

12. 8-chloro-2,3,4,5-tetrahydro-1-methyl-1h-3-benzazepine Hcl

13. Rs Lorcaserin Hydrochloride;dl-lorcaserin Hcl;8-chloro-2,3,4,5-tetrahydro-1-methyl-1h-3-benzazepine Hydrochloride

2.3 Create Date
2012-11-30
3 Chemical and Physical Properties
Molecular Weight 232.15 g/mol
Molecular Formula C11H15Cl2N
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass231.0581549 g/mol
Monoisotopic Mass231.0581549 g/mol
Topological Polar Surface Area12 Ų
Heavy Atom Count14
Formal Charge0
Complexity172
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

BUILDING BLOCK

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